methyl (2R)-4-[(4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]thiomorpholin-4-ium-2-carboxylate

Systemtic Name: methyl (2R)-4-[(4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]thiomorpholin-4-ium-2-carboxylate Openeye Name: methyl (2R)-4-[[4-ethyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]thiomorpholin-4-ium-2-carboxylate CAS Name: (2R)-4-[(4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]-2-thiomorpholin-4-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(4-ethyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]thiomorpholin-4-ium-2-carboxylate Traditional Name: (2R)-4-[[4-ethyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]thiomorpholin-4-ium-2-carboxylic acid methyl ester Formula: C15H21N4O2S3+ MolecularWeight: 385.54784

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCSC(C2)C(=O)OC)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCS[C@H](C2)C(=O)OC)C3=CC=CS3

InChI

InChI=1S/C15H20N4O2S3/c1-3-18-13(11-5-4-7-23-11)16-19(15(18)22)10-17-6-8-24-12(9-17)14(20)21-2/h4-5,7,12H,3,6,8-10H2,1-2H3/p+1/t12-/m1/s1